1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-3-(2-methylphenyl)propan-1-one

C17H24N2O2 — CID 114509173

IUPAC1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-3-(2-methylphenyl)propan-1-one
SMILESCCC1CN(C(=O)CCc2ccccc2C)CC/C1=N\O
InChIInChI=1S/C17H24N2O2/c1-3-14-12-19(11-10-16(14)18-21)17(20)9-8-15-7-5-4-6-13(15)2/h4-7,14,21H,3,8-12H2,1-2H3/b18-16+
InChIKeyXSMQVDOBGNYFHS-FBMGVBCBSA-N
MW288.39 g/mol
LogP3.02
Rot. Bonds4

About 1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-3-(2-methylphenyl)propan-1-one

1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-3-(2-methylphenyl)propan-1-one (PubChem CID 114509173) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-3-(2-methylphenyl)propan-1-one.

Molecular Properties

Compound Name1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-3-(2-methylphenyl)propan-1-one
PubChem CID114509173
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-3-(2-methylphenyl)propan-1-one
SMILESCCC1CN(C(=O)CCc2ccccc2C)CC/C1=N\O
InChIInChI=1S/C17H24N2O2/c1-3-14-12-19(11-10-16(14)18-21)17(20)9-8-15-7-5-4-6-13(15)2/h4-7,14,21H,3,8-12H2,1-2H3/b18-16+
InChIKeyXSMQVDOBGNYFHS-FBMGVBCBSA-N
XLogP3.02
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(2-methylphenyl)propan-1-one
CID 114509852
2-(2,6-difluorophenyl)-1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]ethanone
CID 114509184
1-(3-ethyl-4-hydroxyiminopiperidin-1-yl)octan-1-one
CID 104931312
1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 79411304
2-(4-bromophenyl)-1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]ethanone
CID 114509312
3-cyclopentyl-1-(3-ethyl-4-hydroxyiminopiperidin-1-yl)propan-1-one
CID 104931309
phenyl (4E)-3-ethyl-4-hydroxyiminopiperidine-1-carboxylate
CID 114509409
3-(2-methylphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 65418972
[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-pyridin-4-ylmethanone
CID 114509248
1-(4-chloro-3-methylpiperidin-1-yl)-3-(2-methylphenyl)propan-1-one
CID 114683007
ethyl 4-[3-(2-methylphenyl)propanoyl]piperazine-1-carboxylate
CID 110756038
1-(3-amino-5-methylpiperidin-1-yl)-3-(2-methylphenyl)propan-1-one
CID 79994133

Frequently Asked Questions

What is the IUPAC name of 1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-3-(2-methylphenyl)propan-1-one?
The IUPAC name of 1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-3-(2-methylphenyl)propan-1-one (CID 114509173) is 1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-3-(2-methylphenyl)propan-1-one.
What is the SMILES notation for 1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-3-(2-methylphenyl)propan-1-one?
The canonical SMILES for 1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-3-(2-methylphenyl)propan-1-one is CCC1CN(C(=O)CCc2ccccc2C)CC/C1=N\O.
What is the InChIKey of 1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-3-(2-methylphenyl)propan-1-one?
The InChIKey is XSMQVDOBGNYFHS-FBMGVBCBSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-14-12-19(11-10-16(14)18-21)17(20)9-8-15-7-5-4-6-13(15)2/h4-7,14,21H,3,8-12H2,1-2H3/b18-16+.
What are the key properties of 1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-3-(2-methylphenyl)propan-1-one?
1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-3-(2-methylphenyl)propan-1-one has a molecular weight of 288.39 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-3-(2-methylphenyl)propan-1-one is sourced from PubChem (CID 114509173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).